1-[1,3-dimethoxy-1,3-bis(oxidanylidene)propan-2-yl]-4-nitro-naphthalene-2-carboxylic acid

Systemtic Name: 1-[1,3-dimethoxy-1,3-bis(oxidanylidene)propan-2-yl]-4-nitro-naphthalene-2-carboxylic acid Openeye Name: 1-(2-methoxy-1-methoxycarbonyl-2-oxo-ethyl)-4-nitro-naphthalene-2-carboxylic acid CAS Name: 1-(1,3-dimethoxy-1,3-dioxopropan-2-yl)-4-nitro-2-naphthalenecarboxylic acid IUPAC Name: 1-(1,3-dimethoxy-1,3-dioxopropan-2-yl)-4-nitronaphthalene-2-carboxylic acid Traditional Name: 1-(1-carbomethoxy-2-keto-2-methoxy-ethyl)-4-nitro-2-naphthoic acid Formula: C16H13NO8 MolecularWeight: 347.27632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C(C=C(C2=CC=CC=C21)[N+](=O)[O-])C(=O)O)C(=O)OC

Isomeric SMILES

COC(=O)C(C1=C(C=C(C2=CC=CC=C21)[N+](=O)[O-])C(=O)O)C(=O)OC

InChI

InChI=1S/C16H13NO8/c1-24-15(20)13(16(21)25-2)12-9-6-4-3-5-8(9)11(17(22)23)7-10(12)14(18)19/h3-7,13H,1-2H3,(H,18,19)